SCHEMBL7714630

SCHEMBL7714630

COC(=O)C1=Cc2ccccc2CC(C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
TRPA1 O75762 6/20 0.41
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
RAB9A P51151 2/20 0.36
ALOX15 P16050 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7712848 0.81 CA12 (0.43) CA12CA9TRPA1TSHRALDH1A1
SCHEMBL7708862 0.81 CA12 (0.43) CA12CA9TRPA1TSHRALDH1A1
SCHEMBL7712851 0.79 CA12 (0.41) CA12CA9TRPA1ALDH1A1LMNA
SCHEMBL5600204 0.79 CA12 (0.59) CA12CA9TRPA1ALOX15CA2
SCHEMBL29476751 0.79 CA12 (0.59) CA12CA9TRPA1ALOX15CA2
SCHEMBL7911204 0.78 CA12 (0.50) CA12CA9TRPA1TSHRALDH1A1
SCHEMBL31090834 0.78 CA12 (0.50) CA12CA9TRPA1TSHRALDH1A1
SCHEMBL7378104 0.75 CA12 (0.48) CA12CA9TRPA1TSHRALDH1A1
SCHEMBL7708871 0.73 CA12 (0.46) CA12CA9TRPA1TSHRALDH1A1
SCHEMBL2738436 0.69 CA12 (0.62) CA12CA9ALDH1A1LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed